SCHEMBL482637

SCHEMBL482637

COc1c(-c2ccoc2)cc([N+](=O)[O-])cc1-c1ccc2cc(NS(C)(=O)=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.43
PLAU P00749 4/20 0.41
MET P08581 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
TP53 P04637 1/20 0.37
METAP2 P50579 1/20 0.35
GHSR Q92847 1/20 0.35
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
CYP19A1 P11511 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GSK3B P49841 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL482973 0.86 CRBN (0.45) CRBNPLAUMETFABP4FABP5
SCHEMBL896823 0.86 CRBN (0.45) CRBNPLAUMETFABP4FABP5
SCHEMBL897095 0.84 CRBN (0.45) CRBNPLAUTP53GHSRCYP19A1
SCHEMBL482270 0.80 CRBN (0.48) CRBNPLAUTP53CYP19A1KDM4E
SCHEMBL896071 0.79 CRBN (0.46) CRBNMETFABP4FABP5TP53
SCHEMBL1530409 0.77 CRBN (0.73) CRBNPLAUMETFABP4FABP5
SCHEMBL2910644 0.77 CRBN (0.49) CRBNPLAUMETFABP4FABP5
SCHEMBL482581 0.75 NPSR1 (0.46) CRBNMETFABP4FABP5TP53
SCHEMBL482542 0.68 CRBN (0.48) CRBNPLAUTP53JAK2JAK1
SCHEMBL896485 0.68 CRBN (0.48) CRBNPLAUMETTP53JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
EP-2411352-B1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBVIE INC (US) 2017-01-18 EP disclosed
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES 2016-12-22 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2411352-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF Abbott Laboratories (US) 2012-02-01 EP disclosed
WO-2010111436-A2 ANTIVIRAL COMPOUNDS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885MET 2567/4885
US-20160368905-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885MET 2567/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 CRBN 2389/4885PLAU 1999/4885MET 2567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.